Geometry & MOs

Info

ID:	137211
PubChem CID:	52170543
Reduced:	OSN5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	352.145678
ΔH_f, kcal/mol:	-11.01
Dipole, Da:	1.97
IP(EA), eV:	-8.97(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(benzenesulfonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)CSC2=NN=C3N2C(=NC(=C3)C)C

DOS

IR

Vibrations